SCHEMBL8044716

SCHEMBL8044716

O=C(Nc1n[nH]c2nc(-c3cnn4ccccc34)c(F)cc12)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 3/20 0.48
ROCK1 Q13464 2/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
RORC P51449 3/20 0.38
PTGES O14684 2/20 0.37
PLK1 P53350 1/20 0.37
RECQL P46063 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
IDO1 P14902 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8043054 0.91 EPHB3 (0.47) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL8048684 0.90 ROCK1 (0.46) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL8042726 0.88 EPHB3 (0.46) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL13099662 0.87 IRAK4 (0.45) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL13099760 0.86 ROCK1 (0.42) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL8048686 0.86 IRAK4 (0.51) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL13099711 0.86 EPHB3 (0.40) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL13099704 0.85 CDK2 (0.42) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL8043069 0.84 GSK3B (0.52) EPHB3ROCK1LMNAHTTIRAK4
SCHEMBL8031088 0.83 CDK2 (0.41) EPHB3ROCK1IRAK4PLK1GSK3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 EPHB3 3207/4885ROCK1 250/4885LMNA 2434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.